CID 68769671

Tert-butyl n-[(5-oxopyrrolidin-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)(C)OC(=O)NCC1CC(=O)NC1
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-7-4-8(13)11-5-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)
InChIKey
IIYJKESUJITBBK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

214.13174 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.139016 150.4
[M+Na]+ 237.120958 155.6
[M-H]- 213.124464 150.9
[M+NH4]+ 232.165563 168.6
[M+K]+ 253.094898 154.3
[M+H-H2O]+ 197.129000 144.6
[M+HCOO]- 259.129941 169.1
[M+CH3COO]- 273.145591 184.7
[M+Na-2H]- 235.106406 152.7
[M]+ 214.13119142 148.2
[M]- 214.13228858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe